CAS RN: 589-92-4
4-Methylcyclohexanone
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250723 | 100ml | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20251211 | 25ml | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250709 | 500ml | In stock | Shanghai | Inquiry |
| Batchno.20250824 | 5ml | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
- Product code: ICTM0199
- Purity/Analytical Methods: >98.0%(GC)
589-92-4 / 4-methylcyclohexan-1-one
Basic Information
CAS
589-92-4
Multi CAS
No
Molecular Formula
C7H12O
Molecular Weight
112.170000
Exact Mass
112.088815
InChI
InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChIKey
VGVHNLRUAMRIEW-UHFFFAOYSA-N
Physical Properties
Melting Point
-40.6 °C
Boiling Point
169.00 to 171.00 °C. @ 760.00 mm Hg
Density
0.924-0.934
Physical Description
Clear light yellow liquid;
Liquid
Colourless liquid; musty animalistic odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.86
H-bond acceptors
1
Molar refractivity
32.64
TPSA
17.07
LogP / Solubility
WLOGP
1.77
MLOGP
1.54
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
